[4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]-trimethyl-azanium iodide

Systemtic Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]-trimethyl-azanium iodide Openeye Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]-trimethyl-ammonium iodide CAS Name: [4-[[3-(2-chloroethylthio)-1-oxopropyl]amino]phenyl]-trimethylammonium iodide IUPAC Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]-trimethylazanium iodide Traditional Name: [4-[3-(2-chloroethylthio)propanoylamino]phenyl]-trimethyl-ammonium iodide Formula: C14H22ClIN2OS MolecularWeight: 428.75975

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)NC(=O)CCSCCCl.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)NC(=O)CCSCCCl.[I-]

InChI

InChI=1S/C14H21ClN2OS.HI/c1-17(2,3)13-6-4-12(5-7-13)16-14(18)8-10-19-11-9-15;/h4-7H,8-11H2,1-3H3;1H